TL;DR: Propane, 1-(chloromethoxy)-2-methyl- (CAS 34180-11-5) is a chemical compound with molecular formula C5H11ClO and molecular weight 122.04984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethoxy)-2-methylpropane
Also Known As: 1-(Chloromethoxy)-2-methylpropane, isobutoxymethyl chloride, Chloromethyl isobutyl ether, i-butoxychloromethane, Propane, 1-(chloromethoxy)-2-methyl-
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H11ClO |
| Molecular Weight | 122.04984 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.04984 Da |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
| SMILES | CC(C)COCCl |
| InChIKey | RRRBNCDKPVHUNU-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane, 1-(chloromethoxy)-2-methyl-. With a topological polar surface area (TPSA) of 9.2 Ų, Propane, 1-(chloromethoxy)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane, 1-(chloromethoxy)-2-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propane, 1-(chloromethoxy)-2-methyl- is 34180-11-5.
The molecular formula of Propane, 1-(chloromethoxy)-2-methyl- is C5H11ClO.
The molecular weight of Propane, 1-(chloromethoxy)-2-methyl- is 122.04984 g/mol.
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